1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one

C12H13F3N2O — CID 123731183

IUPAC1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one
SMILESCNC1C=Cc2c(C(F)(F)F)cc(=O)n(C)c2C1
InChIInChI=1S/C12H13F3N2O/c1-16-7-3-4-8-9(12(13,14)15)6-11(18)17(2)10(8)5-7/h3-4,6-7,16H,5H2,1-2H3
InChIKeyLTGLUSMZWMPDIM-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.56
Rot. Bonds1

About 1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one

1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one (PubChem CID 123731183) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one
PubChem CID123731183
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one
SMILESCNC1C=Cc2c(C(F)(F)F)cc(=O)n(C)c2C1
InChIInChI=1S/C12H13F3N2O/c1-16-7-3-4-8-9(12(13,14)15)6-11(18)17(2)10(8)5-7/h3-4,6-7,16H,5H2,1-2H3
InChIKeyLTGLUSMZWMPDIM-UHFFFAOYSA-N
XLogP1.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one (CID 123731183) is 1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one is CNC1C=Cc2c(C(F)(F)F)cc(=O)n(C)c2C1.
What is the InChIKey of 1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one?
The InChIKey is LTGLUSMZWMPDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-16-7-3-4-8-9(12(13,14)15)6-11(18)17(2)10(8)5-7/h3-4,6-7,16H,5H2,1-2H3.
What are the key properties of 1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one?
1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one has a molecular weight of 258.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one is sourced from PubChem (CID 123731183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).